CID 74890142

1487357-03-8

Structural Information

Molecular Formula
C14H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(C(=O)C3)C
InChI
InChI=1S/C14H19BN2O3/c1-13(2)14(3,4)20-15(19-13)10-6-9-7-11(18)17(5)12(9)16-8-10/h6,8H,7H2,1-5H3
InChIKey
GGJDFBYJGGAPOY-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo[2,3-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15614 159.1
[M+Na]+ 297.13808 171.0
[M+NH4]+ 292.18268 169.1
[M+K]+ 313.11202 166.5
[M-H]- 273.14158 163.3
[M+Na-2H]- 295.12353 164.3
[M]+ 274.14831 162.3
[M]- 274.14941 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe